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  <div class="section" id="referencecrystal">
<h1>ReferenceCrystal<a class="headerlink" href="#referencecrystal" title="Permalink to this headline">¶</a></h1>
<dl class="class">
<dt id="atomman.library.record.ReferenceCrystal">
<em class="property">class </em><code class="sig-prename descclassname">atomman.library.record.</code><code class="sig-name descname">ReferenceCrystal</code><span class="sig-paren">(</span><em class="sig-param">model=None</em>, <em class="sig-param">name=None</em>, <em class="sig-param">**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.library.record.ReferenceCrystal" title="Permalink to this definition">¶</a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">datamodelbase.record.Record.Record</span></code></p>
<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.a">
<em class="property">property </em><code class="sig-name descname">a</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.a" title="Permalink to this definition">¶</a></dt>
<dd><p>The unit cell’s a lattice parameter</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)">float</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.alpha">
<em class="property">property </em><code class="sig-name descname">alpha</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.alpha" title="Permalink to this definition">¶</a></dt>
<dd><p>The unit cell’s alpha lattice angle</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)">float</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.b">
<em class="property">property </em><code class="sig-name descname">b</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.b" title="Permalink to this definition">¶</a></dt>
<dd><p>The unit cell’s b lattice parameter</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)">float</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.beta">
<em class="property">property </em><code class="sig-name descname">beta</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.beta" title="Permalink to this definition">¶</a></dt>
<dd><p>The unit cell’s beta lattice angle</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)">float</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.build_model">
<code class="sig-name descname">build_model</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.build_model" title="Permalink to this definition">¶</a></dt>
<dd><p>Returns the object info as data model content</p>
<dl class="field-list simple">
<dt class="field-odd">Returns</dt>
<dd class="field-odd"><p>The data model content.</p>
</dd>
<dt class="field-even">Return type</dt>
<dd class="field-even"><p>DataModelDict</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.c">
<em class="property">property </em><code class="sig-name descname">c</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.c" title="Permalink to this definition">¶</a></dt>
<dd><p>The unit cell’s c lattice parameter</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)">float</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.cdcsquery">
<em class="property">static </em><code class="sig-name descname">cdcsquery</code><span class="sig-paren">(</span><em class="sig-param">key=None</em>, <em class="sig-param">id=None</em>, <em class="sig-param">sourcename=None</em>, <em class="sig-param">sourcelink=None</em>, <em class="sig-param">crystalfamily=None</em>, <em class="sig-param">composition=None</em>, <em class="sig-param">symbols=None</em>, <em class="sig-param">natoms=None</em>, <em class="sig-param">natypes=None</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.cdcsquery" title="Permalink to this definition">¶</a></dt>
<dd><p>Builds a Mongo-style query based on kwargs values for the record style.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>root</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – Any extra model root(s) to prefix the model paths with.  Used by the
different database styles.</p></li>
<li><p><strong>**kwargs</strong> (<em>any</em>) – Any of the record style-specific search parameters.</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p>The Mongo-style query</p>
</dd>
<dt class="field-odd">Return type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#dict" title="(in Python v3.9)">dict</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.composition">
<em class="property">property </em><code class="sig-name descname">composition</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.composition" title="Permalink to this definition">¶</a></dt>
<dd><p>The crystal’s composition</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)">str</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.crystalfamily">
<em class="property">property </em><code class="sig-name descname">crystalfamily</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.crystalfamily" title="Permalink to this definition">¶</a></dt>
<dd><p>The crystal’s system family</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)">str</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.gamma">
<em class="property">property </em><code class="sig-name descname">gamma</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.gamma" title="Permalink to this definition">¶</a></dt>
<dd><p>The unit cell’s gamma lattice angle</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#float" title="(in Python v3.9)">float</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.id">
<em class="property">property </em><code class="sig-name descname">id</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.id" title="Permalink to this definition">¶</a></dt>
<dd><p>The unique id for the record</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)">str</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.key">
<em class="property">property </em><code class="sig-name descname">key</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.key" title="Permalink to this definition">¶</a></dt>
<dd><p>A UUID4 key assigned to the record</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)">str</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.load_model">
<code class="sig-name descname">load_model</code><span class="sig-paren">(</span><em class="sig-param">model</em>, <em class="sig-param">name=None</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.load_model" title="Permalink to this definition">¶</a></dt>
<dd><p>Loads model contents</p>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.metadata">
<code class="sig-name descname">metadata</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.metadata" title="Permalink to this definition">¶</a></dt>
<dd><p>Converts the structured content to a simpler dictionary.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns</dt>
<dd class="field-odd"><p>A dictionary representation of the record’s content.</p>
</dd>
<dt class="field-even">Return type</dt>
<dd class="field-even"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#dict" title="(in Python v3.9)">dict</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.modelroot">
<em class="property">property </em><code class="sig-name descname">modelroot</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.modelroot" title="Permalink to this definition">¶</a></dt>
<dd><p>The root element of the content</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)">str</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.mongoquery">
<em class="property">static </em><code class="sig-name descname">mongoquery</code><span class="sig-paren">(</span><em class="sig-param">name=None</em>, <em class="sig-param">key=None</em>, <em class="sig-param">id=None</em>, <em class="sig-param">sourcename=None</em>, <em class="sig-param">sourcelink=None</em>, <em class="sig-param">crystalfamily=None</em>, <em class="sig-param">composition=None</em>, <em class="sig-param">symbols=None</em>, <em class="sig-param">natoms=None</em>, <em class="sig-param">natypes=None</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.mongoquery" title="Permalink to this definition">¶</a></dt>
<dd><p>Builds a Mongo-style query based on kwargs values for the record style.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>root</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – Any extra model root(s) to prefix the model paths with.  Used by the
different database styles.</p></li>
<li><p><strong>**kwargs</strong> (<em>any</em>) – Any of the record style-specific search parameters.</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p>The Mongo-style query</p>
</dd>
<dt class="field-odd">Return type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#dict" title="(in Python v3.9)">dict</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.natoms">
<em class="property">property </em><code class="sig-name descname">natoms</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.natoms" title="Permalink to this definition">¶</a></dt>
<dd><p>The number of atoms in the unit cell</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#int" title="(in Python v3.9)">int</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.natypes">
<em class="property">property </em><code class="sig-name descname">natypes</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.natypes" title="Permalink to this definition">¶</a></dt>
<dd><p>The number of unique elements in the unit cell</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/functions.html#int" title="(in Python v3.9)">int</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.pandasfilter">
<em class="property">static </em><code class="sig-name descname">pandasfilter</code><span class="sig-paren">(</span><em class="sig-param">dataframe</em>, <em class="sig-param">name=None</em>, <em class="sig-param">key=None</em>, <em class="sig-param">id=None</em>, <em class="sig-param">sourcename=None</em>, <em class="sig-param">sourcelink=None</em>, <em class="sig-param">crystalfamily=None</em>, <em class="sig-param">composition=None</em>, <em class="sig-param">symbols=None</em>, <em class="sig-param">natoms=None</em>, <em class="sig-param">natypes=None</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.pandasfilter" title="Permalink to this definition">¶</a></dt>
<dd><p>Filters a pandas.DataFrame based on kwargs values for the record style.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>dataframe</strong> (<em>pandas.DataFrame</em>) – A table of metadata for multiple records of the record style.</p></li>
<li><p><strong>**kwargs</strong> (<em>any</em>) – Any of the record style-specific search parameters.</p></li>
</ul>
</dd>
<dt class="field-even">Returns</dt>
<dd class="field-even"><p>Boolean map of matching values</p>
</dd>
<dt class="field-odd">Return type</dt>
<dd class="field-odd"><p>pandas.Series, numpy.NDArray?</p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.set_values">
<code class="sig-name descname">set_values</code><span class="sig-paren">(</span><em class="sig-param">name=None</em>, <em class="sig-param">id=None</em>, <em class="sig-param">key=None</em>, <em class="sig-param">sourcename=None</em>, <em class="sig-param">sourcelink=None</em>, <em class="sig-param">ucell=None</em><span class="sig-paren">)</span><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.set_values" title="Permalink to this definition">¶</a></dt>
<dd><p>Sets multiple object values.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>name</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – The name to use for saving the record.  Either name or id should
be given as they are treated as aliases for this record style.</p></li>
<li><p><strong>id</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – The unique identifier for the record.  Should be composed of a
source database tag plus the source database’s unique identifier.</p></li>
<li><p><strong>key</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – A UUID4 key assigned to the record.  Note that if not given a new
random key will be assigned and therefore the keys might not match
if similar records were generated independently.</p></li>
<li><p><strong>sourcename</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – The name of the source database where the reference record was
retrieved.</p></li>
<li><p><strong>sourcelink</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a><em>, </em><em>optional</em>) – The URL to the source database where the reference record was
retrieved.</p></li>
<li><p><strong>ucell</strong> (<a class="reference internal" href="atomman.System.html#atomman.System" title="atomman.System"><em>atomman.System</em></a><em>, </em><em>optional</em>) – A small unit cell system associated with the reference crystal.</p></li>
</ul>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.sourcelink">
<em class="property">property </em><code class="sig-name descname">sourcelink</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.sourcelink" title="Permalink to this definition">¶</a></dt>
<dd><p>URL for the crystal’s source database</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)">str</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.sourcename">
<em class="property">property </em><code class="sig-name descname">sourcename</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.sourcename" title="Permalink to this definition">¶</a></dt>
<dd><p>Name of the crystal’s source database</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)">str</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.style">
<em class="property">property </em><code class="sig-name descname">style</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.style" title="Permalink to this definition">¶</a></dt>
<dd><p>The record style</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.9)">str</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.symbols">
<em class="property">property </em><code class="sig-name descname">symbols</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.symbols" title="Permalink to this definition">¶</a></dt>
<dd><p>The list of element model symbols</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#list" title="(in Python v3.9)">list</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.ucell">
<em class="property">property </em><code class="sig-name descname">ucell</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.ucell" title="Permalink to this definition">¶</a></dt>
<dd><p>The unit cell system for the crystal</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference internal" href="atomman.System.html#atomman.System" title="atomman.System">atomman.System</a></p>
</dd>
</dl>
</dd></dl>

<dl class="method">
<dt id="atomman.library.record.ReferenceCrystal.xsd_filename">
<em class="property">property </em><code class="sig-name descname">xsd_filename</code><a class="headerlink" href="#atomman.library.record.ReferenceCrystal.xsd_filename" title="Permalink to this definition">¶</a></dt>
<dd><p>The module path and file name of the record’s xsd schema</p>
<dl class="field-list simple">
<dt class="field-odd">Type</dt>
<dd class="field-odd"><p><a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#tuple" title="(in Python v3.9)">tuple</a></p>
</dd>
</dl>
</dd></dl>

</dd></dl>

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